For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-(3-ketobutyl)-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-(3-ketobutyl)-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one
SpectraBase Compound ID H2A1dgVm4sm
InChI InChI=1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h7-8H,5-6H2,1-4H3
InChIKey FQBSMSHWOZHTFV-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2EXeXSKE46v
Name 3-(3-ketobutyl)-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h7-8H,5-6H2,1-4H3
InChIKey FQBSMSHWOZHTFV-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 206.285 g/mol
Source File Reference MHKO2022